(7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one

Details

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Internal ID a23b9101-90b3-4d8a-b80b-3a8a1bf0fcc0
Taxonomy Organoheterocyclic compounds > Pyrans
IUPAC Name (7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10O3/c1-2-4-7-9(12)10(13)8-5-3-6-14-11(7)8/h2-5,11,13H,1,6H2/b7-4+/t11-/m0/s1
InChI Key CCVQPAZRNPBPPA-ZPMKCOPCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10O3
Molecular Weight 190.19 g/mol
Exact Mass 190.062994177 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (7Z,7aR)-5-hydroxy-7-prop-2-enylidene-2,7a-dihydrocyclopenta[b]pyran-6-one

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.31% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.12% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.72% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.95% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.53% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.90% 90.71%
CHEMBL4530 P00488 Coagulation factor XIII 83.79% 96.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.63% 100.00%
CHEMBL2581 P07339 Cathepsin D 80.82% 98.95%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 163002661
LOTUS LTS0104724
wikiData Q104953860